N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-piperonyl-propionamide Formula: C26H22ClN3O4S MolecularWeight: 507.98858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

InChI

InChI=1S/C26H22ClN3O4S/c1-16(24(31)28-13-17-10-11-22-23(12-17)34-15-33-22)35-26-29-21-9-5-3-7-19(21)25(32)30(26)14-18-6-2-4-8-20(18)27/h2-12,16H,13-15H2,1H3,(H,28,31)